⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL8624603 | 0.62 | FAAH (0.30) | — | |
| SCHEMBL7029065 | 0.62 | — | — | |
| Isopropyl Alcohol SCHEMBL8622993 | 0.60 | — | — | |
| SCHEMBL21742187 | 0.57 | — | — | |
| SCHEMBL29080413 | 0.53 | TLR8 (0.32) | — | |
| SCHEMBL16682341 | 0.53 | GFER (0.59) | — | |
| SCHEMBL8678477 | 0.52 | USP2 (0.30) | — | |
| SCHEMBL6751719 | 0.52 | ALDH1A1 (0.44) | — | |
| SCHEMBL28107459 | 0.52 | TSHR (0.35) | — | |
| SCHEMBL27482271 | 0.52 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7173059-B2 | Intermediates useful in the synthesis of HIV-protease inhibitors and methods for preparing the same | AGOURON PHARMACEUTICALS, INC. (US) | 2007-02-06 | — | — | US | disclosed |
| EP-1633704-A2 | INTERMEDIATES USEFUL IN THE SYNTHESIS OF HIV-PROTEASE INHIBITORS AND METHODS FOR PREPARING THE SAME | PFIZER INC. (US) | 2006-03-15 | — | — | EP | disclosed |
| US-20050250949-A1 | Intermediates useful in the synthesis of HIV-protease inhibitors and methods for preparing the same | AGOURON PHARMACEUTICALS INC. | 2005-11-10 | — | — | US | disclosed |
| WO-2004099129-A2 | INTERMEDIATES USEFUL IN THE SYNTHESIS OF HIV-PROTEASE INHIBITORS AND METHODS FOR PREPARING THE SAME | PFIZER INC. (US) | 2004-11-18 | — | — | WO | disclosed |